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> Main
CHEBI:34242 - 2,4-dinitroaniline
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ChEBI Ontology
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ChEBI Name
2,4-dinitroaniline
ChEBI ID
CHEBI:34242
Definition
A nitroaniline consisting of an aniline core having two nitro substituents located at the 2- and 4-positions.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C6H5N3O4
Net Charge
0
Average Mass
183.12160
Monoisotopic Mass
183.02801
InChI
InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
InChIKey
LXQOQPGNCGEELI-UHFFFAOYSA-N
SMILES
Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,4-dinitroaniline (
CHEBI:34242
)
is a
nitroaniline (
CHEBI:25550
)
IUPAC Name
2,4-dinitroaniline
Synonyms
Sources
1-Amino-2,4-dinitrobenzene
KEGG COMPOUND
2,4-dinitroaminobenzene
ChEBI
2,4-Dinitroanilin
ChemIDplus
2,4-Dinitroanilina
ChemIDplus
2,4-dinitrobenzenamine
ChEBI
2,4-Dinitrobenzenamine
ChemIDplus
2,4-dinitrobenzeneamine
ChEBI
2,4-Dinitrophenylamine
ChemIDplus
2,4-Nitroaniline
NIST Chemistry WebBook
Manual Xref
Database
C14713
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
97-02-9
CAS Registry Number
NIST Chemistry WebBook
97-02-9
CAS Registry Number
ChemIDplus
982999
Reaxys Registry Number
Reaxys
Citations
Types
Sources
14927800
PubMed citation
Europe PMC
18504561
PubMed citation
Europe PMC
20663537
PubMed citation
Europe PMC
21284083
PubMed citation
Europe PMC
4981513
PubMed citation
Europe PMC
Last Modified
17 December 2012